1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[1,3-oxazol-5-yl(phenyl)methylidene]piperidin-1-yl]ethane-1,2-dione

C29H24N6O4 — CID 5279899

IUPAC1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[1,3-oxazol-5-yl(phenyl)methylidene]piperidin-1-yl]ethane-1,2-dione
SMILESCOc1cnc(-c2cnccn2)c2[nH]cc(C(=O)C(=O)N3CCC(=C(c4ccccc4)c4cnco4)CC3)c12
InChIInChI=1S/C29H24N6O4/c1-38-22-16-34-26(21-14-30-9-10-32-21)27-25(22)20(13-33-27)28(36)29(37)35-11-7-19(8-12-35)24(23-15-31-17-39-23)18-5-3-2-4-6-18/h2-6,9-10,13-17,33H,7-8,11-12H2,1H3
InChIKeyAAKKUPZWADCQHH-UHFFFAOYSA-N
MW520.55 g/mol
LogP4.32
Rot. Bonds6

About 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[1,3-oxazol-5-yl(phenyl)methylidene]piperidin-1-yl]ethane-1,2-dione

1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[1,3-oxazol-5-yl(phenyl)methylidene]piperidin-1-yl]ethane-1,2-dione (PubChem CID 5279899) has the molecular formula C29H24N6O4 and a molecular weight of 520.55 g/mol. Its IUPAC name is 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[1,3-oxazol-5-yl(phenyl)methylidene]piperidin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[1,3-oxazol-5-yl(phenyl)methylidene]piperidin-1-yl]ethane-1,2-dione
PubChem CID5279899
Molecular FormulaC29H24N6O4
Molecular Weight520.55 g/mol
Exact Mass520.19
IUPAC Name1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[1,3-oxazol-5-yl(phenyl)methylidene]piperidin-1-yl]ethane-1,2-dione
SMILESCOc1cnc(-c2cnccn2)c2[nH]cc(C(=O)C(=O)N3CCC(=C(c4ccccc4)c4cnco4)CC3)c12
InChIInChI=1S/C29H24N6O4/c1-38-22-16-34-26(21-14-30-9-10-32-21)27-25(22)20(13-33-27)28(36)29(37)35-11-7-19(8-12-35)24(23-15-31-17-39-23)18-5-3-2-4-6-18/h2-6,9-10,13-17,33H,7-8,11-12H2,1H3
InChIKeyAAKKUPZWADCQHH-UHFFFAOYSA-N
XLogP4.32
TPSA127.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[1,3-oxazol-5-yl(phenyl)methylidene]piperidin-1-yl]ethane-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[1,3-oxazol-5-yl(phenyl)methylidene]piperidin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[1,3-oxazol-5-yl(phenyl)methylidene]piperidin-1-yl]ethane-1,2-dione (CID 5279899) is 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[1,3-oxazol-5-yl(phenyl)methylidene]piperidin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[1,3-oxazol-5-yl(phenyl)methylidene]piperidin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[1,3-oxazol-5-yl(phenyl)methylidene]piperidin-1-yl]ethane-1,2-dione is COc1cnc(-c2cnccn2)c2[nH]cc(C(=O)C(=O)N3CCC(=C(c4ccccc4)c4cnco4)CC3)c12.
What is the InChIKey of 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[1,3-oxazol-5-yl(phenyl)methylidene]piperidin-1-yl]ethane-1,2-dione?
The InChIKey is AAKKUPZWADCQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O4/c1-38-22-16-34-26(21-14-30-9-10-32-21)27-25(22)20(13-33-27)28(36)29(37)35-11-7-19(8-12-35)24(23-15-31-17-39-23)18-5-3-2-4-6-18/h2-6,9-10,13-17,33H,7-8,11-12H2,1H3.
What are the key properties of 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[1,3-oxazol-5-yl(phenyl)methylidene]piperidin-1-yl]ethane-1,2-dione?
1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[1,3-oxazol-5-yl(phenyl)methylidene]piperidin-1-yl]ethane-1,2-dione has a molecular weight of 520.55 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[1,3-oxazol-5-yl(phenyl)methylidene]piperidin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 5279899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).